3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine

C15H15F2N3 — CID 70980229

IUPAC3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
SMILESCC1(C)CNc2cc(Cc3ccc(F)cc3F)nnc21
InChIInChI=1S/C15H15F2N3/c1-15(2)8-18-13-7-11(19-20-14(13)15)5-9-3-4-10(16)6-12(9)17/h3-4,6-7,18H,5,8H2,1-2H3
InChIKeyGWUKUUDDMYNROT-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.05
Rot. Bonds2

About 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine

3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine (PubChem CID 70980229) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
PubChem CID70980229
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
SMILESCC1(C)CNc2cc(Cc3ccc(F)cc3F)nnc21
InChIInChI=1S/C15H15F2N3/c1-15(2)8-18-13-7-11(19-20-14(13)15)5-9-3-4-10(16)6-12(9)17/h3-4,6-7,18H,5,8H2,1-2H3
InChIKeyGWUKUUDDMYNROT-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine
CID 118169635
1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]-2-methoxyethanol
CID 118170088
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
CID 79451763
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 113301765
3-[(2,4-difluorophenyl)methyl]-3-propylazetidine
CID 79451436
1-(ethylsulfanylmethyl)-2,4-difluorobenzene
CID 91657273
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 90396878
4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
CID 90396848
6-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindole
CID 178022194
2,4-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]benzene
CID 69132615
2-(2,4-difluorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572905
1-[2-(2,4-difluorophenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111782064

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine (CID 70980229) is 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine is CC1(C)CNc2cc(Cc3ccc(F)cc3F)nnc21.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
The InChIKey is GWUKUUDDMYNROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-15(2)8-18-13-7-11(19-20-14(13)15)5-9-3-4-10(16)6-12(9)17/h3-4,6-7,18H,5,8H2,1-2H3.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine has a molecular weight of 275.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine is sourced from PubChem (CID 70980229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).